2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide

C16H22N6O — CID 129241150

IUPAC2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide
SMILESCC(N)C(=O)N[C@@H]1C[C@H](C)CN(c2ccnc3nccnc23)C1
InChIInChI=1S/C16H22N6O/c1-10-7-12(21-16(23)11(2)17)9-22(8-10)13-3-4-19-15-14(13)18-5-6-20-15/h3-6,10-12H,7-9,17H2,1-2H3,(H,21,23)/t10-,11?,12+/m0/s1
InChIKeyDCGUFQHCRHPGBH-ASKATJPDSA-N
MW314.39 g/mol
LogP0.70
Rot. Bonds3

About 2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide

2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide (PubChem CID 129241150) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide
PubChem CID129241150
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide
SMILESCC(N)C(=O)N[C@@H]1C[C@H](C)CN(c2ccnc3nccnc23)C1
InChIInChI=1S/C16H22N6O/c1-10-7-12(21-16(23)11(2)17)9-22(8-10)13-3-4-19-15-14(13)18-5-6-20-15/h3-6,10-12H,7-9,17H2,1-2H3,(H,21,23)/t10-,11?,12+/m0/s1
InChIKeyDCGUFQHCRHPGBH-ASKATJPDSA-N
XLogP0.70
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide?
The IUPAC name of 2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide (CID 129241150) is 2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide.
What is the SMILES notation for 2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide?
The canonical SMILES for 2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide is CC(N)C(=O)N[C@@H]1C[C@H](C)CN(c2ccnc3nccnc23)C1.
What is the InChIKey of 2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide?
The InChIKey is DCGUFQHCRHPGBH-ASKATJPDSA-N. The full InChI is InChI=1S/C16H22N6O/c1-10-7-12(21-16(23)11(2)17)9-22(8-10)13-3-4-19-15-14(13)18-5-6-20-15/h3-6,10-12H,7-9,17H2,1-2H3,(H,21,23)/t10-,11?,12+/m0/s1.
What are the key properties of 2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide?
2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide has a molecular weight of 314.39 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide is sourced from PubChem (CID 129241150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).